2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide

C17H22N4O — CID 11460732

IUPAC2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)C=C(c2nc3c(C(N)=O)cccc3[nH]2)CC(C)(C)N1
InChIInChI=1S/C17H22N4O/c1-16(2)8-10(9-17(3,4)21-16)15-19-12-7-5-6-11(14(18)22)13(12)20-15/h5-8,21H,9H2,1-4H3,(H2,18,22)(H,19,20)
InChIKeyZKFWXZUJCFLPSP-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.60
Rot. Bonds2

About 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide

2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11460732) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11460732
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)C=C(c2nc3c(C(N)=O)cccc3[nH]2)CC(C)(C)N1
InChIInChI=1S/C17H22N4O/c1-16(2)8-10(9-17(3,4)21-16)15-19-12-7-5-6-11(14(18)22)13(12)20-15/h5-8,21H,9H2,1-4H3,(H2,18,22)(H,19,20)
InChIKeyZKFWXZUJCFLPSP-UHFFFAOYSA-N
XLogP2.60
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide (CID 11460732) is 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide is CC1(C)C=C(c2nc3c(C(N)=O)cccc3[nH]2)CC(C)(C)N1.
What is the InChIKey of 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is ZKFWXZUJCFLPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-16(2)8-10(9-17(3,4)21-16)15-19-12-7-5-6-11(14(18)22)13(12)20-15/h5-8,21H,9H2,1-4H3,(H2,18,22)(H,19,20).
What are the key properties of 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide?
2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11460732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).